23307 <common-name>Spectinomycin</common-name> <description nil="true"/> <cas>1695-77-8</cas> <pubchem-id>2021</pubchem-id> <chemical-formula>C14H24N2O7</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-25T18:23:38Z</created-at> <updated-at type="dateTime">2026-05-14T16:52:49Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB00919</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2</moldb-smiles> <moldb-formula>C14H24N2O7</moldb-formula> <moldb-inchi>InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1</moldb-inchi> <moldb-inchikey>UNFWWIHTNXNPBV-WXKVUWSESA-N</moldb-inchikey> <moldb-average-mass type="decimal">332.3496</moldb-average-mass> <moldb-mono-mass type="decimal">332.158351132</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21240858</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM022202</chemdb-id> <dsstox-id>DTXSID9023592</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001800</susdat-id> <iupac>(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one</iupac> <moldb-polar-surface-area>129.51000000000002</moldb-polar-surface-area> <moldb-refractivity>75.43620000000001</moldb-refractivity> <moldb-polarizability>33.39375850665531</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>9</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>8.576981246087254</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.398081590100476</moldb-pka-strongest-basic> <moldb-physiological-charge>2</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>-1.40</moldb-alogps-logp> <moldb-alogps-logs>-0.35</moldb-alogps-logs> <moldb-alogps-solubility>1.50e+02 g/l</moldb-alogps-solubility> </compound>